SCHEMBL17801020

SCHEMBL17801020

CNC(=O)c1ccc(-c2n[nH]c3ccc(-c4nc5ccccc5[nH]4)cc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.56
PDPK1 O15530 8/20 0.54
HPSE Q9Y251 1/20 0.54
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
THRB P10828 1/20 0.54
RECQL P46063 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
PAK4 O96013 1/20 0.53
CDK2 P24941 1/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
NFKB1 P19838 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19466043 0.84 HPSE (0.73) HPSEKDM4ENPC1RAB9AMEN1
SCHEMBL3533024 0.81 PDPK1 (0.73) FLT3PDPK1PAK4CDK2CHEK1
SCHEMBL4912822 0.81 FGFR1 (0.59) FLT3PDPK1PAK4CDK2CHEK1
SCHEMBL5379078 0.79 KDM4E (0.65) PDPK1KDM4ENPC1RAB9AMEN1
SCHEMBL17801060 0.77 PDPK1 (0.60) PDPK1KDM4ECDK2ALDH1A1CHEK1
SCHEMBL1224535 0.76 FLT3 (0.66) FLT3PDPK1KDM4ENPC1RAB9A
SCHEMBL1225786 0.75 CHEK1 (0.82) FLT3PDPK1PAK4CDK2CHEK1
SCHEMBL1225453 0.75 PAK4 (0.63) FLT3PDPK1PAK4CDK2CHEK1
SCHEMBL15862535 0.75 CLK2 (0.73) PDPK1MMP2MMP9MMP8MMP13
SCHEMBL5508118 0.74 PDPK1 (0.74) FLT3PDPK1KDM4ENPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed
WO-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed